On the Solubility of Ferrocene in Nonaqueous Solvents

被引：19

作者：

Yousefinejad, Saeed ^{[1
]}

Honarasa, Fatemeh ^{[2
]}

Solhjoo, Aida ^{[3
]}

机构：

[1] Shiraz Univ Med Sci, Sch Hlth, Shiraz, Iran

[2] Islamic Azad Univ, Dept Chem, Shiraz Branch, Shiraz, Iran

[3] Univ Yasuj, Dept Chem, Yasuj, Iran

来源：

JOURNAL OF CHEMICAL AND ENGINEERING DATA | 2016年 / 61卷 / 01期

关键词：

SOLVATION ENERGY RELATIONSHIPS; GENERAL TREATMENT; SOLUTES; ELECTROCHEMISTRY; CLASSIFICATION; DESCRIPTORS; ENTHALPIES; COMPLEX; SCALE;

D O I：

10.1021/acs.jced.5b00768

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

The solubility of ferrocene in various organic solvents is important because of its application in chemical process and its role as a standard electrochemical probe in nonaqueous systems. A multilinear quantitative structure property relationship (QSPR) model based on theoretical descriptors and a new linear solvation energy relationship (LSER) model based on empirical scales of solvents are suggested for Ostwald solubility coefficient of ferrocene in 35 organic solvents. The constructed models were validated using different statistical approaches such as internal validation and external test set. In addition to excellent external prediction ability, QSPR and LSER models covered 94 and 92% of cross-validated variance, respectively. The proposed models confirmed the role of polar interactions and basicity of solvents during the solvation of ferrocene in organic phase.

引用

收藏

页码：614 / 621

页数：8

相关论文

共 50 条

[1] Electroreduction of Er3+ in nonaqueous solvents [J].

Small, Leo J. ;

Sears, Jeremiah M. ;

Lambert, Timothy N. ;

Boyle, Timothy J. ;

Hess, Ryan F. .

RSC ADVANCES, 2016, 6 (92) :89564-89571

[2] Solubility of Flavonoids in Pure Solvents [J].

Ferreira, Olga ;

Pinho, Simao P. .

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2012, 51 (18) :6586-6590

[3] New LSER Model Based on Solvent Empirical Parameters for the Prediction and Description of the Solubility of Buckminsterfullerene in Various Solvents [J].

Yousefinejad, Saeed ;

Honarasa, Fatemeh ;

Abbasitabar, Fatemeh ;

Arianezhad, Zeinab .

JOURNAL OF SOLUTION CHEMISTRY, 2013, 42 (08) :1620-1632

[4] Electron transfer in nonpolar solvents in fullerodendrimers with peripheral ferrocene units [J].

Perez, Laura ;

Garcia-Martinez, Joaquin C. ;

Diez-Barra, Enrique ;

Atienzar, Pedro ;

Garcia, Hermenegildo ;

Rodriguez-Lopez, Julian ;

Langa, Fernando .

CHEMISTRY-A EUROPEAN JOURNAL, 2006, 12 (19) :5149-5157

[5] A flavin analogue with improved solubility in organic solvents [J].

Koder, Ronald L. ;

Lichtenstein, Bruce R. ;

Cerda, Jose F. ;

Miller, Anne-Frances ;

Dutton, P. Leslie .

TETRAHEDRON LETTERS, 2007, 48 (31) :5517-5520

[6] Thermodynamics of fenofibrate and solubility in pure organic solvents [J].

Watterson, Samuel ;

Hudson, Sarah ;

Svard, Michael ;

Rasmuson, Ake C. .

FLUID PHASE EQUILIBRIA, 2014, 367 :143-150

[7] THE ELECTROCHEMICAL-BEHAVIOR OF MIXED NICKEL(II)-CHELATES IN NONAQUEOUS SOLVENTS [J].

LINERT, W ;

TAHA, A ;

JAMESON, RF .

JOURNAL OF COORDINATION CHEMISTRY, 1992, 25 (01) :29-41

[8] Theoretical models of solubility for organic solvents. A conceptual density functional theory approach [J].

Contreras, Renato ;

Munoz-Espinoza, Jose ;

Sanchez, Bruno .

JOURNAL OF MOLECULAR LIQUIDS, 2024, 403

[9] Determination and correlation of solubility of an explosive in different pure solvents [J].

Shen, Fan-fan ;

Zhang, Tong-wei ;

Li, Yong-xiang .

JOURNAL OF MOLECULAR LIQUIDS, 2021, 340

[10] Density Functional Theory as a Predictive Tool for Cerium Redox Properties in Nonaqueous Solvents [J].

Levin, Jessica R. ;

Dorfner, Walter L. ;

Dai, Alan X. ;

Carroll, Patrick J. ;

Schelter, Eric J. .

INORGANIC CHEMISTRY, 2016, 55 (24) :12651-12659

← 1 2 3 4 5 →